UCSF

ZINC44510845

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.31 3.78 -51.83 1 6 -1 87 236.251 5
Lo Low (pH 4.5-6) 0.31 3.94 -40.86 2 6 0 88 237.259 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )